%chk=000047313.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047313

0 1
 O    1.916300      -1.658500     -0.2123000    
 O   0.3612000      -2.170800       1.410300    
 O   -1.814700       1.139800      -1.506600    
 N   -1.282700     -0.2490000      0.2672000    
 N    4.708000      -3.120800      -1.487100    
 C   0.1863000     -0.1074000      0.1314000    
 C   0.6849000       1.028200       1.028500    
 C    2.035100       1.556300      0.6085000    
 C   0.7994000      -1.428000      0.5416000    
 C    2.103800       2.600000     -0.3010000    
 C    3.182100      0.9877000       1.139600    
 C   -2.135700      0.4004000     -0.5800000    
 C   -3.576700      0.1771000     -0.2955000    
 C    3.351600       3.087600     -0.6891000    
 C    4.430000       1.475500      0.7514000    
 C    4.514800       2.525300     -0.1630000    
 C   -4.486000       1.147800     -0.6618000    
 C   -3.959500     -0.9937000      0.3254000    
 C   -5.838900      0.9381000     -0.3950000    
 C   -5.312500      -1.203200      0.5920000    
 C    2.606800      -2.881100      6.4599998E-02
 C   -6.252100     -0.2372000      0.2318000    
 C    3.778500      -3.014200     -0.8010000    
 H   0.3994000      8.2800001E-02 -0.9274000    
 H   0.7259000      0.7068000       2.078400    
 H  -2.9700000E-02   1.862800       1.015900    
 H   -1.617200     -0.7663000       1.072900    
 H    1.203800       3.042300     -0.7184000    
 H    3.128100      0.1719000       1.854700    
 H    3.417800       3.904600      -1.401800    
 H    5.335500       1.037800       1.161300    
 H    5.486400       2.904900     -0.4654000    
 H   -4.180200       2.070400      -1.145900    
 H   -3.269400      -1.789100      0.5867000    
 H   -6.570700       1.690400     -0.6746000    
 H   -5.636200      -2.122300       1.071800    
 H    2.921800      -2.884800       1.114300    
 H    1.926300      -3.723600     -0.1034000    
 H   -7.305800     -0.4013000      0.4378000    


%chk=000047313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047313

0 1
O 2.105779 -1.316044 -0.478093
O 0.611927 -2.122693 1.126229
O -1.883965 1.543508 -1.116749
N -1.255453 -0.257126 0.194476
N 2.462261 -4.560017 -1.736990
C 0.169061 0.026305 -0.000473
C 0.656440 1.191113 0.945354
C 2.090039 1.625193 0.698061
C 0.941158 -1.252909 0.287440
C 2.418396 2.374524 -0.461728
C 3.125676 1.285136 1.604614
C -2.218010 0.532613 -0.414866
C -3.655231 0.142861 -0.198998
C 3.751245 2.766360 -0.712707
C 4.461210 1.678690 1.358618
C 4.778621 2.418227 0.196075
C -4.644041 1.115305 -0.496313
C -4.057748 -1.140505 0.256904
C -6.011391 0.819816 -0.321399
C -5.427571 -1.436461 0.428430
C 3.014167 -2.460805 -0.191707
C -6.407101 -0.456174 0.145623
C 2.700580 -3.616932 -1.047844
H 0.331783 0.344391 -1.044017
H 0.510373 0.868121 1.992628
H -0.041273 2.023513 0.742170
H -1.498128 -1.008901 0.843901
H 1.623848 2.657253 -1.163811
H 2.883227 0.720740 2.514605
H 3.988925 3.347264 -1.610965
H 5.248883 1.418254 2.074971
H 5.812051 2.728208 0.004689
H -4.312053 2.089732 -0.869144
H -3.320974 -1.930501 0.446538
H -6.767482 1.578718 -0.549919
H -5.730377 -2.431547 0.771818
H 4.022859 -2.077271 -0.410497
H 2.927546 -2.752433 0.870489
H -7.469455 -0.688326 0.279387


